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Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra
Deep learning methods for the prediction of molecular excitation spectra are presented. For the example of the electronic density of states of 132k organic molecules, three different neural network architectures: multilayer perceptron (MLP), convolutional neural network (CNN), and deep tensor neural...
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| Publicat a: | Adv Sci (Weinh) |
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| Autors principals: | , , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
John Wiley and Sons Inc.
2019
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6498126/ https://ncbi.nlm.nih.gov/pubmed/31065514 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/advs.201801367 |
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